1-[(2,3-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]nipecotic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-4-15-10-11-18(27-15)19(22-12-6-7-14(13-22)21(23)24)16-8-5-9-17(25-2)20(16)26-3/h5,8-11,14,19H,4,6-7,12-13H2,1-3H3,(H,23,24)